CID 9570428

Acetophenone, 4'-methoxy-2-((4-methyl-1-piperazinyl)imino)-, hydrochloride

Structural Information

Molecular Formula
C14H19N3O2
SMILES
CN1CCN(CC1)/N=C/C(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C14H19N3O2/c1-16-7-9-17(10-8-16)15-11-14(18)12-3-5-13(19-2)6-4-12/h3-6,11H,7-10H2,1-2H3/b15-11+
InChIKey
SRIIEXBDHZFNFH-RVDMUPIBSA-N
Compound name
(2E)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)iminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.14774 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.155016 161.1
[M+Na]+ 284.136958 166.3
[M-H]- 260.140464 165.6
[M+NH4]+ 279.181563 175.1
[M+K]+ 300.110898 163.9
[M+H-H2O]+ 244.145000 151.4
[M+HCOO]- 306.145941 180.9
[M+CH3COO]- 320.161591 200.8
[M+Na-2H]- 282.122406 164.6
[M]+ 261.14719142 159.6
[M]- 261.14828858 159.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.